SCHEMBL3963850

SCHEMBL3963850

CC(C)(C(=O)Nc1nc(-c2ccccc2)co1)S(=O)(=O)c1ccccc1.CCc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2)nc1-c1ccccc1.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
CNR2 P34972 5/20 0.40
CNR1 P21554 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
DUSP3 P51452 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3960763 0.93 MEN1 (0.38) RORCCNR2CNR1ALDH1A1MAPT
SCHEMBL3963986 0.89 CNR2 (0.43) CNR2CNR1ALDH1A1MAPTHSD11B1
SCHEMBL1465949 0.82 RORC (0.56) RORCCNR2CNR1ALDH1A1HSD17B10
SCHEMBL1463796 0.79 CNR2 (0.52) RORCCNR2CNR1HSD11B1
SCHEMBL1466192 0.78 ALDH1A1 (0.60) RORCCNR2CNR1ALDH1A1HSD17B10
SCHEMBL3966458 0.77 CNR2 (0.49) RORCCNR2CNR1HSD11B1
SCHEMBL3967901 0.76 FFAR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL1464685 0.75 RORC (0.57) RORCCNR2CNR1ALDH1A1HSD17B10
SCHEMBL1465040 0.74 HSD11B1 (0.55) CNR2CNR1HSD11B1
SCHEMBL1465448 0.72 ALDH1A1 (0.56) RORCALDH1A1HSD17B10HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed